3,5-Dibromo-2-chlorosalicylanilide-4'-isothiocyanate
TL;DR: 3,5-Dibromo-2-chlorosalicylanilide-4'-isothiocyanate (CAS 72670-62-3) is a chemical compound with molecular formula C14H7Br2ClN2O2S and molecular weight 459.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dibromo-N-(2-chloro-4-isothiocyanatophenyl)-2-hydroxybenzamide
Also Known As: Compound 77-6, Cdri 77-6, Cdri-77-6, 3,5-Dibromo-2-chlorosalicylanilide-4'-isothiocyanate, 3,5-Dibromo-2-chloro-4-isothiocyanatosalicylanilide
| Molecular Formula | C14H7Br2ClN2O2S |
|---|---|
| Molecular Weight | 459.83 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 93.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 459.82834 |
| Heavy Atoms | 22 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 72670-62-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1N=C=S)Cl)NC(=O)C2=C(C(=CC(=C2)Br)Br)O |
| InChIKey | HIJLHRKFBDDOIL-UHFFFAOYSA-N |
Product Overview
3,5-Dibromo-2-chlorosalicylanilide-4'-isothiocyanate (CAS 72670-62-3), with molecular formula C14H7Br2ClN2O2S and molecular weight 459.83 g/mol. IUPAC: 3,5-dibromo-N-(2-chloro-4-isothiocyanatophenyl)-2-hydroxybenzamide.
Chemical Property Profile of 3,5-Dibromo-2-chlorosalicylanilide-4'-isothiocyanate
Property Insights of 3,5-Dibromo-2-chlorosalicylanilide-4'-isothiocyanate
The XLogP value of 6.4 indicates that 3,5-Dibromo-2-chlorosalicylanilide-4'-isothiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dibromo-2-chlorosalicylanilide-4'-isothiocyanate. Following Lipinski's Rule of Five, 3,5-Dibromo-2-chlorosalicylanilide-4'-isothiocyanate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,5-Dibromo-2-chlorosalicylanilide-4'-isothiocyanate?
The CAS number of 3,5-Dibromo-2-chlorosalicylanilide-4'-isothiocyanate is 72670-62-3.
What is the molecular formula of 3,5-Dibromo-2-chlorosalicylanilide-4'-isothiocyanate?
The molecular formula of 3,5-Dibromo-2-chlorosalicylanilide-4'-isothiocyanate is C14H7Br2ClN2O2S.
What is the molecular weight of 3,5-Dibromo-2-chlorosalicylanilide-4'-isothiocyanate?
The molecular weight of 3,5-Dibromo-2-chlorosalicylanilide-4'-isothiocyanate is 459.83 g/mol.
Where can I buy 3,5-Dibromo-2-chlorosalicylanilide-4'-isothiocyanate?
You can request a quote for 3,5-Dibromo-2-chlorosalicylanilide-4'-isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dibromo-2-chlorosalicylanilide-4'-isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dibromo-2-chlorosalicylanilide-4'-isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.